4-Chlorophenol → 4-((4-Chlorophenoxy)methyl)-2-(methylthio)pyrimidine
Reaction equation
[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:1][S:2][c:3]1[n:4][cH:5][cH:6][c:7]([CH2:9][OH:10])[n:8]1.[N:38]([C:39]([N:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1)=[O:46])=[N:47][C:48]([N:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1)=[O:55].[OH:11][c:12]1[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]1.[c:19]1([P:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH3:1][S:2][c:3]1[n:4][cH:5][cH:6][c:7]([CH2:9][O:10][c:12]2[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]2)[n:8]1Participants
6
Sources & evidence
- ORD record
- ord-0e52d6cc6bff47f394227b3527791782
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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